- InChI
- InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3
- InChI Key
- CZGAOHSMVSIJJZ-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- C=C(C)CC(C)CCC
- Molecular Weight1
- 126.24
- CAS
- 19549-87-2
- Other Names
-
- 1-Heptene, 2,4-dimethyl
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 101.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.65 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 3.389 | Crippen Calculated Property | |
| McVol | 133.370 | ml/mol | McGowan Calculated Property |
| Pc | 2433.84 | kPa | Joback Calculated Property |
| Inp | [828.00; 855.00] |
|
|
| Inp | 828.00 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 829.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 836.20 | NIST | |
| Inp | 836.20 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 850.00 | NIST | |
| I | 885.00 | NIST | |
| Tboil | 401.44 | K | Joback Calculated Property |
| Tc | 574.80 | K | Joback Calculated Property |
| Tfus | 160.47 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.19; 334.34] | J/mol×K | [401.44; 574.80] |
|
| Cp,gas | 257.19 | J/mol×K | 401.44 | Joback Calculated Property |
| Cp,gas | 271.44 | J/mol×K | 430.33 | Joback Calculated Property |
| Cp,gas | 285.11 | J/mol×K | 459.23 | Joback Calculated Property |
| Cp,gas | 298.22 | J/mol×K | 488.12 | Joback Calculated Property |
| Cp,gas | 310.78 | J/mol×K | 517.01 | Joback Calculated Property |
| Cp,gas | 322.81 | J/mol×K | 545.91 | Joback Calculated Property |
| Cp,gas | 334.34 | J/mol×K | 574.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethyl-1-heptene.
Sources
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